N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide

C25H28N4O2 — CID 53098930

IUPACN-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)cc1
InChIInChI=1S/C25H28N4O2/c1-2-3-4-19-5-11-22(12-6-19)28-25(30)21-9-7-20(8-10-21)23-17-24(27-18-26-23)29-13-15-31-16-14-29/h5-12,17-18H,2-4,13-16H2,1H3,(H,28,30)
InChIKeyBAKREPGNMSCMSX-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.58
Rot. Bonds7

About N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide

N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide (PubChem CID 53098930) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
PubChem CID53098930
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)cc1
InChIInChI=1S/C25H28N4O2/c1-2-3-4-19-5-11-22(12-6-19)28-25(30)21-9-7-20(8-10-21)23-17-24(27-18-26-23)29-13-15-31-16-14-29/h5-12,17-18H,2-4,13-16H2,1H3,(H,28,30)
InChIKeyBAKREPGNMSCMSX-UHFFFAOYSA-N
XLogP4.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098839
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5379195
N-(4-butylphenyl)-4-chloro-3-morpholin-4-ylsulfonylbenzamide
CID 26639213
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-(4-bromo-3-methylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098851
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26639223
N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098874
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 53104085
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide (CID 53098930) is N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide is CCCCc1ccc(NC(=O)c2ccc(-c3cc(N4CCOCC4)ncn3)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
The InChIKey is BAKREPGNMSCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-3-4-19-5-11-22(12-6-19)28-25(30)21-9-7-20(8-10-21)23-17-24(27-18-26-23)29-13-15-31-16-14-29/h5-12,17-18H,2-4,13-16H2,1H3,(H,28,30).
What are the key properties of N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide?
N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide has a molecular weight of 416.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53098930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).